(1-aminocarbonyl-2,3-dihydroinden-1-yl)-(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium

Systemtic Name: (1-aminocarbonyl-2,3-dihydroinden-1-yl)-(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Openeye Name: (5-amino-1-carboxy-pentyl)-(1-carbamoylindan-1-yl)-isobutyl-(p-tolylsulfonyl)ammonium CAS Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(1-carbamoyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)ammonium IUPAC Name: (6-amino-1-hydroxy-1-oxohexan-2-yl)-(1-carbamoyl-2,3-dihydroinden-1-yl)-(4-methylphenyl)sulfonyl-(2-methylpropyl)azanium Traditional Name: (5-amino-1-carboxy-pentyl)-(1-carbamoylindan-1-yl)-isobutyl-tosyl-ammonium Formula: C27H38N3O5S+ MolecularWeight: 516.67272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)O)C2(CCC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+](CC(C)C)(C(CCCCN)C(=O)O)C2(CCC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C27H37N3O5S/c1-19(2)18-30(24(25(31)32)10-6-7-17-28,36(34,35)22-13-11-20(3)12-14-22)27(26(29)33)16-15-21-8-4-5-9-23(21)27/h4-5,8-9,11-14,19,24H,6-7,10,15-18,28H2,1-3H3,(H2-,29,31,32,33)/p+1